SCHEMBL3845463

SCHEMBL3845463

Cc1c(C)n(Cc2ccc(C(=O)O)cc2)c2c(N3CCc4ccccc4C3)nc(C#N)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
FABP4 P15090 1/20 0.38
PPARG P37231 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
AR P10275 1/20 0.37
HTT P42858 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ADAMTS4 O75173 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1737018 0.92 ALDH1A1 (0.40) MEN1KMT2AFABP4ALDH1A1TSHR
SCHEMBL1738200 0.92 LIPE (0.39) MEN1KMT2APPARGALDH1A1HTT
SCHEMBL1737212 0.90 KDM4E (0.39) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL1737204 0.90 ALDH1A1 (0.39) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL1737077 0.89 HSD17B10 (0.40) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL1737013 0.88 ALDH1A1 (0.43) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL1737068 0.87 ALDH1A1 (0.37) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL1736614 0.87 ALDH1A1 (0.37) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL1735880 0.87 ALDH1A1 (0.38) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL1735952 0.86 MDM2 (0.40) MEN1KMT2APPARGALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP disclosed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed